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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 64 results

Search term: C46H78NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24766693

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,18,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
C46H78NO8P804.08727700
24766811

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27,31,33,44H,6-7,9,11-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
C46H78NO8P804.08726600
24766842

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,33,44H,6-13,18-19,23,26,29,32,34-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
C46H78NO8P804.08726600
24766875

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27,31,33,44H,6-8,10,12-13,18-19,23,26,28-30,32,34-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
C46H78NO8P804.08726600
24766907

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-25,27-28,30,44H,6-8,10,12-13,18-19,23,26,29,31-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1
C46H78NO8P804.08726600
24767065

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,29,31,44H,6-8,10,12-13,18-19,23,27-28,30,32-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1
C46H78NO8P804.08726600
24767096

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,29-32,44H,6-13,18-19,23,27-28,33-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
C46H78NO8P804.08726600
24767097

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24-26,30,32,44H,6-8,10,12-13,18-19,23,27-29,31,33-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
C46H78NO8P804.08726600
24767161

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,30,32,44H,6-7,9,11-13,18-19,23,27-29,31,33-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
C46H78NO8P804.08726600
24767387

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,18,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1
C46H78NO8P804.08726600
24822829

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26-29,33,35,44H,6-7,9,11-13,15,17-19,22,25,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,29-27-,35-33-/t44-/m1/s1
C46H78NO8P804.08725600
24767129

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,44H,6-7,9,11-13,18-19,23,27-28,30,32-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-/t44-/m1/s1
C46H78NO8P804.08725500
24767130

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,44H,6-7,12-13,18-19,23,27-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-/t44-/m1/s1
C46H78NO8P804.08725500
24767032

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-26,29-32,44H,6-8,10,12-14,16,18-19,23,27-28,33-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
C46H78NO8P804.08725500
24766876

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-25,27,44H,6-7,12-13,18-19,23,26,28-43H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1
C46H78NO8P804.08725500
24766906

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24-25,27-28,30-31,33,44H,6-8,10,12-14,16,18-19,23,26,29,32,34-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-,27-25-,30-28-,33-31-/t44-/m1/s1
C46H78NO8P804.08725500
24766843

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-25,27-28,30,44H,6-7,9,11-13,18-19,23,26,29,31-43H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,24-21-,27-25-,30-28-/t44-/m1/s1
C46H78NO8P804.08725500
28533673

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h17-18,21-22,25-26,29-30,44-45H,11-16,19-20,23-24,27-28,31-35,47H2,1-10H3,(H,48,49)(H,50,51)/b38-21+,39-22+,40-25+,41-26+,42-29+,43-30+/t44-,45-/m0/s1
C46H78NO8P804.08724500
74850060

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h12-15,18-20,22-24,27,29,33,35,44,47H,4-11,16-17,21,25-26,28,30-32,34,36-43H2,1-3H3,(H,50,51)/b14-12-,15-13-,20-18-,23-22-,24-19-,29-27-,35-33-
C46H78NO8P804.08723300
74850061

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H78NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-20,22-24,27,29,44,47H,4-5,7,9-11,16-17,21,25-26,28,30-43H2,1-3H3,(H,50,51)/b8-6-,14-12-,15-13-,20-18-,23-22-,24-19-,29-27-
C46H78NO8P804.08723300
1234

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